2,4-dimethyl-6-[[4-(2-pyrazol-1-ylethyl)piperidin-1-ium-1-yl]methyl]pyrimidine

Systemtic Name: 2,4-dimethyl-6-[[4-(2-pyrazol-1-ylethyl)piperidin-1-ium-1-yl]methyl]pyrimidine Openeye Name: 2,4-dimethyl-6-[[4-(2-pyrazol-1-ylethyl)piperidin-1-ium-1-yl]methyl]pyrimidine CAS Name: 2,4-dimethyl-6-[[4-[2-(1-pyrazolyl)ethyl]-1-piperidin-1-iumyl]methyl]pyrimidine IUPAC Name: 2,4-dimethyl-6-[[4-(2-pyrazol-1-ylethyl)piperidin-1-ium-1-yl]methyl]pyrimidine Traditional Name: 2,4-dimethyl-6-[[4-(2-pyrazol-1-ylethyl)piperidin-1-ium-1-yl]methyl]pyrimidine Formula: C17H26N5+ MolecularWeight: 300.42184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C)C[NH+]2CCC(CC2)CCN3C=CC=N3

Isomeric SMILES

CC1=CC(=NC(=N1)C)C[NH+]2CCC(CC2)CCN3C=CC=N3

InChI

InChI=1S/C17H25N5/c1-14-12-17(20-15(2)19-14)13-21-9-4-16(5-10-21)6-11-22-8-3-7-18-22/h3,7-8,12,16H,4-6,9-11,13H2,1-2H3/p+1